Geometry & MOs

Info

ID:	403844
PubChem CID:	135062100
Reduced:	NSO5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	378.132337
ΔH_f, kcal/mol:	-215.24
Dipole, Da:	3.38
IP(EA), eV:	-9.52(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-1,1-bis[(S)-(4-methylphenyl)sulfinyl]butan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC[C@H]1CC(C(=C)S(=O)(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations